Geometry & MOs

Info

ID:	182374
PubChem CID:	76882643
Reduced:	ClNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	-17.5
Dipole, Da:	3.06
IP(EA), eV:	-9.13(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(aminomethyl)phenoxy]methyl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)OCC=CCl)N

DOS

IR

Vibrations